N-(3-cyclohexyloxiran-2-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-amine

C17H24N4O2 — CID 147589152

IUPACN-(3-cyclohexyloxiran-2-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-amine
SMILESCc1noc(C)c1Cn1cc(NC2OC2C2CCCCC2)cn1
InChIInChI=1S/C17H24N4O2/c1-11-15(12(2)23-20-11)10-21-9-14(8-18-21)19-17-16(22-17)13-6-4-3-5-7-13/h8-9,13,16-17,19H,3-7,10H2,1-2H3
InChIKeyFXYCEPDGKPZNGU-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.25
Rot. Bonds5

About N-(3-cyclohexyloxiran-2-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-amine

N-(3-cyclohexyloxiran-2-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-amine (PubChem CID 147589152) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-(3-cyclohexyloxiran-2-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound NameN-(3-cyclohexyloxiran-2-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-amine
PubChem CID147589152
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-(3-cyclohexyloxiran-2-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-amine
SMILESCc1noc(C)c1Cn1cc(NC2OC2C2CCCCC2)cn1
InChIInChI=1S/C17H24N4O2/c1-11-15(12(2)23-20-11)10-21-9-14(8-18-21)19-17-16(22-17)13-6-4-3-5-7-13/h8-9,13,16-17,19H,3-7,10H2,1-2H3
InChIKeyFXYCEPDGKPZNGU-UHFFFAOYSA-N
XLogP3.25
TPSA68.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze N-(3-cyclohexyloxiran-2-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-amine with MolForge

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(3-phenyloxiran-2-yl)pyrazol-4-amine
CID 153203644
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]cyclohexanecarboxamide
CID 57422291
1-(2,3-dihydro-1H-inden-2-yl)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]thiourea
CID 4626703
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-sulfanylidene-1,3-thiazolidine-4-carboxamide
CID 4645676
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methylbenzamide
CID 58409595
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-hydroxybenzamide
CID 155567505
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,5-dimethyl-3,4-dihydropyrazole-3-carboxamide
CID 70646299
1-(2-chloroethyl)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]urea
CID 57422492
1-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]amino]-2-(7-ethyl-2-bicyclo[3.3.1]nonanyl)ethanol
CID 123923564
4-[(4-ethenylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
CID 122240819
3,5-dimethyl-4-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1,2-oxazole
CID 71981003
N-cyclohexyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylimidazol-2-amine
CID 106576145

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxiran-2-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-amine?
The IUPAC name of N-(3-cyclohexyloxiran-2-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-amine (CID 147589152) is N-(3-cyclohexyloxiran-2-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for N-(3-cyclohexyloxiran-2-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-amine?
The canonical SMILES for N-(3-cyclohexyloxiran-2-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-amine is Cc1noc(C)c1Cn1cc(NC2OC2C2CCCCC2)cn1.
What is the InChIKey of N-(3-cyclohexyloxiran-2-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-amine?
The InChIKey is FXYCEPDGKPZNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-11-15(12(2)23-20-11)10-21-9-14(8-18-21)19-17-16(22-17)13-6-4-3-5-7-13/h8-9,13,16-17,19H,3-7,10H2,1-2H3.
What are the key properties of N-(3-cyclohexyloxiran-2-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-amine?
N-(3-cyclohexyloxiran-2-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-amine has a molecular weight of 316.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxiran-2-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 147589152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).